N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-[(4-fluoranylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-[(4-fluoranylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1-[(4-fluorophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide Formula: C25H21FN4O5 MolecularWeight: 476.456443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H21FN4O5/c1-16-9-17(2)11-22(10-16)35-23-13-19(12-20(14-23)30(32)33)27-25(31)24-7-8-29(28-24)15-34-21-5-3-18(26)4-6-21/h3-14H,15H2,1-2H3,(H,27,31)